Result for 1AF51F5C5F248E5DF99E1497168344DC483D33C9

Query result

Key Value
FileSize419516
MD584B4145EEB78CA1E00D174C6896881C6
PackageDescriptionSpin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamelibchemps2-2
PackageSectionlibs
PackageVersion1.8-2
SHA-11AF51F5C5F248E5DF99E1497168344DC483D33C9
SHA-2562E40F064BD6C0F05F55AFCF751780A02096B8A37928C28A037AE030B0C8669EB
hashlookup:children-total5
hashlookup:trust50

Network graph view

Children (Total: 5)

The searched file hash includes 5 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/share/doc/libchemps2-2/README.md.gz
FileSize1960
MD5382C791F02683830452D696AD4171EC0
SHA-14065BCB78402DAA3E6C1474A454A934836F5CA83
SHA-256AF5EAFF760035BEC19EEF0D98157DD1664DC276A5E652DB7DD077999A059E259
SSDEEP48:XduMBM6ttOzkqPYK8/H30ziguiqxvQz+cGP:ZBM4qd8P3eiguizyP
TLSHT137412C45CE7523DDC41ADBB602F1654B95ED85E67A9361CE5E4E401078F41D8C90BA48
Key Value
FileName./usr/lib/aarch64-linux-gnu/libchemps2.so.2
FileSize1231928
MD5467DF7A4A2154DEE37D18A59570305DF
SHA-1C85AE7D50FF3F92D95F1015DA7441D3A8466B4AE
SHA-25633A8AED341DEAFDE6DEF26F58DEA897ED691F64BC7B7B183E1B3C3CF977BE976
SSDEEP24576:P5sXUn3CCm8vSib56ihNFHOR/pt4XPOYR2:RUUn3CK6BhtFYR
TLSHT137458D896A0F2D63D587FBBCAF4E8674743B79B0AB2240B2345453CD6F868E5C4A1473
Key Value
FileName./usr/share/doc/libchemps2-2/changelog.Debian.gz
FileSize1040
MD5C64DAF5D60B0F7D27851E85435977CFC
SHA-16F78CD3233718F944CD549AA425CDA3FA4FFC325
SHA-256D14FF18C8AFA8C6D9FDBC9F6DF1598550DCC0B48A5A6FB81C9C05E3DB8A0F3D5
SSDEEP24:Xy1ArneMKV9MW0mWD7IH0ilP25NMpHv+VxCag/r+l:XFjEg7IUUcyhYCag/ra
TLSHT19411D890A37915BF4C40A2E1D410A4D1895389FFA39CCDA5701A52E8BD92240C56B79E
Key Value
FileName./usr/share/doc/libchemps2-3/FILES.md.gz
FileSize5460
MD50DC802981ECF4FF025807CB388338303
RDS:package_id182052
SHA-1A9C5753E0D58F3FF1E0321D29BB83D942FF8646C
SHA-2561260E319AC065E50E73F68F22018FF29115006B08C148060014DCA9179E38BB9
SSDEEP96:/k5FJy8XODnhNUGMO9azFtsoePNbpboos5iRvwiqB4XR+zmHEkH56mLV5+eJvlWm:/kDJyoQwGZ9awvNuoVwFjzmkkvNJYJA
TLSHT14BB18E424C2F42E68E525231E06DC95E6D5EC9EF26050900AA05D9FF17FA09D3768EB5
insert-timestamp1679425104.1517975
sourceRDS.db
Key Value
FileName./usr/share/doc/python-chemps2/copyright
FileSize1292
MD5B1B9D31A73F20335392F4D524BEAAA8A
SHA-115E1395D41961B7F484DE7CA284B841CB986B1D1
SHA-256BFAE04B1D41E1D5D07DFE0D0CA6DFBBB6F7AA052E9D208206E9CFE9E50972CEF
SSDEEP24:g0trcLcMIhuELRhELwNkRhELVyROkHAITbVS2yOnAyjnm+:D9u2hGoyvHq+nxi+
TLSHT114210E5D5294C27E554013C2BD9295CAE32AA27374B8D092644DC39AD60AA3A23E24E9